4-Methylindole

The 4-Methylindole, with the CAS registry number 16096-32-5, is also known as Indole, 4-methyl-. It belongs to the product categories of Blocks; Indoles Oxindoles; Indoles and Derivatives; Pyrroles & Indoles; Indoles; Simple Indoles; Pyrroles & Indoles. Its EINECS registry number is 240-262-5. This chemical's molecular formula is C₉H₉N and molecular weight is 131.17. What's more, both its IUPAC name and systematic name are the same which is called 4-Methyl-1H-indole.

Physical properties about 4-Methylindole are: (1)ACD/LogP: 2.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.54 ; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 50.17; (6)ACD/BCF (pH 7.4): 50.17; (7)ACD/KOC (pH 5.5): 573.80; (8)ACD/KOC (pH 7.4): 573.80; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å²; (13)Index of Refraction: 1.655; (14)Molar Refractivity: 43.353 cm³; (15)Molar Volume: 118.147 cm³; (16)Polarizability: 17.187×10^-24cm³; (17)Surface Tension: 46.40 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 114.058 °C; (20)Enthalpy of Vaporization: 48.548 kJ/mol; (21)Boiling Point: 267.821 °C at 760 mmHg ; (22)Vapour Pressure: 0.013 mmHg at 25 °C.

Uses of 4-Methylindole: (1) it is used as organic synthetic reagent; (2) it is used to produce other chemicals. For example, it can react with acetic acid to get N-ethyl-4-methylindoline. This reaction needs reagent NaBH₃CN at temperature of 50 °C. The reaction time is 4 hours. The yield is 60 %.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing and avoid contacting with skin and eyes. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1(cccc2c1ccn2)C
(2) InChI: InChI=1S/C9H9N/c1-7-3-2-4-9-8(7)5-6-10-9/h2-6,10H,1H3
(3) InChIKey: PZOUSPYUWWUPPK-UHFFFAOYSA-N